2-(1-phenylbenzo[f]quinolin-3-yl)phenol

C25H17NO — CID 2272727

IUPAC2-(1-phenylbenzo[f]quinolin-3-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C25H17NO/c27-24-13-7-6-12-20(24)23-16-21(17-8-2-1-3-9-17)25-19-11-5-4-10-18(19)14-15-22(25)26-23/h1-16,27H
InChIKeyKDBJCJUZAXAWNS-UHFFFAOYSA-N
MW347.42 g/mol
LogP6.43
Rot. Bonds2

About 2-(1-phenylbenzo[f]quinolin-3-yl)phenol

2-(1-phenylbenzo[f]quinolin-3-yl)phenol (PubChem CID 2272727) has the molecular formula C25H17NO and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(1-phenylbenzo[f]quinolin-3-yl)phenol.

Molecular Properties

Compound Name2-(1-phenylbenzo[f]quinolin-3-yl)phenol
PubChem CID2272727
Molecular FormulaC25H17NO
Molecular Weight347.42 g/mol
Exact Mass347.13
IUPAC Name2-(1-phenylbenzo[f]quinolin-3-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1
InChIInChI=1S/C25H17NO/c27-24-13-7-6-12-20(24)23-16-21(17-8-2-1-3-9-17)25-19-11-5-4-10-18(19)14-15-22(25)26-23/h1-16,27H
InChIKeyKDBJCJUZAXAWNS-UHFFFAOYSA-N
XLogP6.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzo[f]quinolin-3-yl)phenol?
The IUPAC name of 2-(1-phenylbenzo[f]quinolin-3-yl)phenol (CID 2272727) is 2-(1-phenylbenzo[f]quinolin-3-yl)phenol.
What is the SMILES notation for 2-(1-phenylbenzo[f]quinolin-3-yl)phenol?
The canonical SMILES for 2-(1-phenylbenzo[f]quinolin-3-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1.
What is the InChIKey of 2-(1-phenylbenzo[f]quinolin-3-yl)phenol?
The InChIKey is KDBJCJUZAXAWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO/c27-24-13-7-6-12-20(24)23-16-21(17-8-2-1-3-9-17)25-19-11-5-4-10-18(19)14-15-22(25)26-23/h1-16,27H.
What are the key properties of 2-(1-phenylbenzo[f]quinolin-3-yl)phenol?
2-(1-phenylbenzo[f]quinolin-3-yl)phenol has a molecular weight of 347.42 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzo[f]quinolin-3-yl)phenol is sourced from PubChem (CID 2272727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).